N-[2-[5-(5-acetamido-1,3-dioxoinden-2-ylidene)pent-3-enylidene]-1,3-dioxoinden-5-yl]acetamide

C27H20N2O6 — CID 91157190

IUPACN-[2-[5-(5-acetamido-1,3-dioxoinden-2-ylidene)pent-3-enylidene]-1,3-dioxoinden-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(=O)C(=CC=CCC=C1C(=O)c3ccc(NC(C)=O)cc3C1=O)C2=O
InChIInChI=1S/C27H20N2O6/c1-14(30)28-16-8-10-18-22(12-16)26(34)20(24(18)32)6-4-3-5-7-21-25(33)19-11-9-17(29-15(2)31)13-23(19)27(21)35/h3-4,6-13H,5H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyUUSHLVQOCAHTHY-UHFFFAOYSA-N
MW468.47 g/mol
LogP3.86
Rot. Bonds5

About N-[2-[5-(5-acetamido-1,3-dioxoinden-2-ylidene)pent-3-enylidene]-1,3-dioxoinden-5-yl]acetamide

N-[2-[5-(5-acetamido-1,3-dioxoinden-2-ylidene)pent-3-enylidene]-1,3-dioxoinden-5-yl]acetamide (PubChem CID 91157190) has the molecular formula C27H20N2O6 and a molecular weight of 468.47 g/mol. Its IUPAC name is N-[2-[5-(5-acetamido-1,3-dioxoinden-2-ylidene)pent-3-enylidene]-1,3-dioxoinden-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-[5-(5-acetamido-1,3-dioxoinden-2-ylidene)pent-3-enylidene]-1,3-dioxoinden-5-yl]acetamide
PubChem CID91157190
Molecular FormulaC27H20N2O6
Molecular Weight468.47 g/mol
Exact Mass468.13
IUPAC NameN-[2-[5-(5-acetamido-1,3-dioxoinden-2-ylidene)pent-3-enylidene]-1,3-dioxoinden-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(=O)C(=CC=CCC=C1C(=O)c3ccc(NC(C)=O)cc3C1=O)C2=O
InChIInChI=1S/C27H20N2O6/c1-14(30)28-16-8-10-18-22(12-16)26(34)20(24(18)32)6-4-3-5-7-21-25(33)19-11-9-17(29-15(2)31)13-23(19)27(21)35/h3-4,6-13H,5H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyUUSHLVQOCAHTHY-UHFFFAOYSA-N
XLogP3.86
TPSA126.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

N-[2-[5-(4-acetamido-1,3-dioxoinden-2-ylidene)pent-3-enylidene]-1,3-dioxoinden-4-yl]acetamide
CID 91261906
N-(6,7-dihydroxy-5,8-dioxonaphthalen-2-yl)acetamide
CID 135839434
N-(9,10-dioxoanthracen-2-yl)acetamide;ethane
CID 143974024
N-[(2Z)-2-[(2E,4E)-5-[3-hydroxy-1-oxo-5-(2-oxopropyl)inden-2-yl]penta-2,4-dienylidene]-1,3-dioxoinden-5-yl]acetamide
CID 123611970
N-(9,10-dioxoanthracen-2-yl)propanamide
CID 2871272
N-(2-hydroxy-1,3-dioxoisoindol-5-yl)acetamide
CID 100916426
2-(5-acetamido-1,3-dioxoisoindol-2-yl)acetic acid
CID 94831603
N-[6-(decanoylamino)-9-oxofluoren-2-yl]decanamide
CID 171981229
2-(2-methylpropylamino)-N-[7-[[2-(2-methylpropylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide
CID 44568765
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 4-acetamidobenzoate
CID 4855145
[(2R)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl] 3-methylbut-2-enoate
CID 8759898
2-(2-hydroxyethylamino)-N-[7-[[2-(2-hydroxyethylamino)acetyl]amino]-9-oxofluoren-2-yl]acetamide
CID 72696869

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(5-acetamido-1,3-dioxoinden-2-ylidene)pent-3-enylidene]-1,3-dioxoinden-5-yl]acetamide?
The IUPAC name of N-[2-[5-(5-acetamido-1,3-dioxoinden-2-ylidene)pent-3-enylidene]-1,3-dioxoinden-5-yl]acetamide (CID 91157190) is N-[2-[5-(5-acetamido-1,3-dioxoinden-2-ylidene)pent-3-enylidene]-1,3-dioxoinden-5-yl]acetamide.
What is the SMILES notation for N-[2-[5-(5-acetamido-1,3-dioxoinden-2-ylidene)pent-3-enylidene]-1,3-dioxoinden-5-yl]acetamide?
The canonical SMILES for N-[2-[5-(5-acetamido-1,3-dioxoinden-2-ylidene)pent-3-enylidene]-1,3-dioxoinden-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)C(=O)C(=CC=CCC=C1C(=O)c3ccc(NC(C)=O)cc3C1=O)C2=O.
What is the InChIKey of N-[2-[5-(5-acetamido-1,3-dioxoinden-2-ylidene)pent-3-enylidene]-1,3-dioxoinden-5-yl]acetamide?
The InChIKey is UUSHLVQOCAHTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O6/c1-14(30)28-16-8-10-18-22(12-16)26(34)20(24(18)32)6-4-3-5-7-21-25(33)19-11-9-17(29-15(2)31)13-23(19)27(21)35/h3-4,6-13H,5H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of N-[2-[5-(5-acetamido-1,3-dioxoinden-2-ylidene)pent-3-enylidene]-1,3-dioxoinden-5-yl]acetamide?
N-[2-[5-(5-acetamido-1,3-dioxoinden-2-ylidene)pent-3-enylidene]-1,3-dioxoinden-5-yl]acetamide has a molecular weight of 468.47 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(5-acetamido-1,3-dioxoinden-2-ylidene)pent-3-enylidene]-1,3-dioxoinden-5-yl]acetamide is sourced from PubChem (CID 91157190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).